Found 5 results

Search term: MXLMTQWGSQIYOW (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-(~2~H_3_)Methyl-2-(~2~H_8_)butanol | C5HD11O

3-(2H3)Methyl-2-(2H8)butanol

  • Molecular FormulaC5HD11O
  • Average mass99.216 Da
  • Monoisotopic mass99.157860 Da
  • ChemSpider ID60597036
  • Non-standard isotope - Non-standard isotope


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Butan-1,1,1,2,3,4,4,4-d8-ol, 3-(methyl-d3)- [ACD/Index Name]
3-(2H3)Methyl-2-(2H8)butanol [German] [ACD/IUPAC Name]
3-(2H3)Methyl-2-(2H8)butanol [ACD/IUPAC Name]
3-(2H3)Méthyl-2-(2H8)butanol [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.8±0.1 g/cm3
Boiling Point: 113.6±8.0 °C at 760 mmHg
Vapour Pressure: 10.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.0±6.0 kJ/mol
Flash Point: 26.7±0.0 °C
Index of Refraction: 1.403
Molar Refractivity: 26.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.01
ACD/KOC (pH 5.5): 93.99
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.01
ACD/KOC (pH 7.4): 93.99
Polar Surface Area: 20 Å2
Polarizability: 10.6±0.5 10-24cm3
Surface Tension: 24.2±3.0 dyne/cm
Molar Volume: 109.3±3.0 cm3

Click to predict properties on the Chemicalize site






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